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Antibiotics
Special Issues
Design and Synthesis of Antibacterial Heterocycle-Based Compounds
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Design and Synthesis of Antibacterial Heterocycle-Based Compounds

A special issue of Antibiotics (ISSN 2079-6382). This special issue belongs to the section "Novel Antimicrobial Agents".

Deadline for manuscript submissions: closed (15 December 2020) | Viewed by 7205

Special Issue Editor

Dr. Luís M. T. Frija

E-Mail Website
Guest Editor
Centro de Química Estrutural, Instituto Superior Técnico - Universidade de Lisboa, Lisbon, Portugal
Interests: organic chemistry; tetrazoles, thiazoles and thiadiazoles; nitrogen ligands; organocatalysis; metal catalysis; selective chelators for metals on biological medium; leads for cancer chemotherapy
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Nowadays, the search for new antibiotics continues without ceasing, and is a hot topic, in part because of the permanent development of the resistant capacities by the pathogenic organisms for this kind of drug. The discovery and construction of new molecules with antibiotic properties is embraced by incalculable natural product sources, as well as with numerous synthetic chemistry protocols. In this context, as a kind of restriction, in this Issue, we recommend exposing only original antibacterial heterocycle-based compounds. Other families of antibiotics without, at least, one heterocyclic ring in the structure will not be considered in this Issue. We are confident that a great collection of papers will appear on such a topic, gathering the attention of experts from different fields.

Greetings,

Dr. Luís M. T. Frija
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Antibiotics is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2900 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • design and synthesis of heterocycle-based compounds with antibacterial activity
  • natural occurring bioactive molecules
  • synergistic activity of antibiotics with different chemotypes
  • antibiotic resistant bacteria

Published Papers (2 papers)

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Research

16 pages, 2518 KiB  
Article
Geranii Herba as a Potential Inhibitor of SARS-CoV-2 Main 3CLpro, Spike RBD, and Regulation of Unfolded Protein Response: An In Silico Approach
by Selvaraj Arokiyaraj, Antony Stalin, Balakrishnan Senthamarai Kannan and Hakdong Shin
Antibiotics 2020, 9(12), 863; https://0-doi-org.brum.beds.ac.uk/10.3390/antibiotics9120863 - 03 Dec 2020
Cited by 26 | Viewed by 3590
Abstract
Background: Since the first patient identified with SARS-CoV-2 symptoms in December 2019, the trend of a spreading coronavirus disease 2019 (COVID-19) infection has remained to date. As for now, there is an urgent need to develop novel drugs or vaccines for the SARS-CoV-2 [...] Read more.
Background: Since the first patient identified with SARS-CoV-2 symptoms in December 2019, the trend of a spreading coronavirus disease 2019 (COVID-19) infection has remained to date. As for now, there is an urgent need to develop novel drugs or vaccines for the SARS-CoV-2 virus. Methods: Polyphenolic compounds have potential as drug candidates for various diseases, including viral infections. In this study, polyphenolic compounds contained in Geranii Herba were chosen for an in silico approach. The SARS-CoV-2 receptor-binding domain (RBD), 3CLpro (Replicase polyprotein 1ab), and the cell surface receptor glucose-regulated protein 78 (GRP78) were chosen as target proteins. Results: Based on the molecular docking analysis, ellagic acid, gallic acid, geraniin, kaempferitrin, kaempferol, and quercetin showed significant binding interactions with the target proteins. Besides, the molecular dynamic simulation studies support Geranii Herba’s inhibition efficiency on the SARS-CoV-2 RBD. We assume that the active compounds in Geranii Herba might inhibit SARS-CoV-2 cell entry through the ACE2 receptor and inhibit the proteolytic process. Besides, these compounds may help to regulate the cell signaling under the unfolded protein response in endoplasmic reticulum stress through the binding with GRP78 and avoid the SARS-CoV-2 interaction. Conclusions: Hence, the compounds present in Geranii Herba could be used as possible drug candidates for the prevention/treatment of SARS-CoV-2 infection. Full article
(This article belongs to the Special Issue Design and Synthesis of Antibacterial Heterocycle-Based Compounds)
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19 pages, 5481 KiB  
Article
Synthesis and Biological Evaluation of New Pyridothienopyrimidine Derivatives as Antibacterial Agents and Escherichia coli Topoisomerase II Inhibitors
by Eman M. Mohi El-Deen, Eman A. Abd El-Meguid, Eman A. Karam, Eman S. Nossier and Marwa F. Ahmed
Antibiotics 2020, 9(10), 695; https://0-doi-org.brum.beds.ac.uk/10.3390/antibiotics9100695 - 14 Oct 2020
Cited by 26 | Viewed by 2830
Abstract
The growing resistance of bacteria to many antibiotics that have been in use for several decades has generated the need to discover new antibacterial agents with structural features qualifying them to overcome the resistance mechanisms. Thus, novel pyridothienopyrimidine derivatives (2a,b [...] Read more.
The growing resistance of bacteria to many antibiotics that have been in use for several decades has generated the need to discover new antibacterial agents with structural features qualifying them to overcome the resistance mechanisms. Thus, novel pyridothienopyrimidine derivatives (2a,b–a,b) were synthesized by a series of various reactions, starting with 3-aminothieno[2,3-b]pyridine-2-carboxamides (1a,b). Condensation of compounds 1a,b with cyclohexanone gave 1’H-spiro[cyclohexane-1,2’-pyrido[3’,2’:4,5]thieno[3,2-d]pyrimidin]-4’(3’H)-ones (2a,b), which in turn were utilized to afford the target 4-substituted derivatives (3a,b–8a,b). In vitro antibacterial activity evaluations of all the new compounds (2a,b–8a,b) were performed against six strains of Gram-negative and Gram-positive bacteria. The target compounds showed significant antibacterial activity, especially against Gram-negative strains. Moreover, the compounds (2a,b; 3a,b; 4a,b; and 5a,b) that exhibited potent activity against Escherichia coli were selected to screen their inhibitory activity against Escherichia coli topoisomerase II (DNA gyrase and topoisomerase IV) enzymes. Compounds 4a and 4b showed potent dual inhibition of the two enzymes with IC50 values of 3.44 µΜ and 5.77 µΜ against DNA gyrase and 14.46 µΜ and 14.89 µΜ against topoisomerase IV, respectively. In addition, docking studies were carried out to give insight into the binding mode of the tested compounds within the E. coli DNA gyrase B active site compared with novobiocin. Full article
(This article belongs to the Special Issue Design and Synthesis of Antibacterial Heterocycle-Based Compounds)
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